ChemSpider 2D Image | (3S)-3-Cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoic acid | C13H15FO2

(3S)-3-Cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoic acid

  • Molecular FormulaC13H15FO2
  • Average mass222.255 Da
  • Monoisotopic mass222.105606 Da
  • ChemSpider ID58107577

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S)-3-Cyclopropyl-3-(4-fluor-3-methylphenyl)propansäure [German] [ACD/IUPAC Name]
(3S)-3-Cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoic acid [ACD/IUPAC Name]
Acide (3S)-3-cyclopropyl-3-(4-fluoro-3-méthylphényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-cyclopropyl-4-fluoro-3-methyl-, (βS)- [ACD/Index Name]
(S)-3-cyclopropyl-3-(4-fluoro-3-methylphenyl)propanoic acid
1017330-08-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 334.6±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 156.2±23.7 °C
Index of Refraction: 1.564
Molar Refractivity: 58.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 21.01
ACD/KOC (pH 5.5): 170.26
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.68
Polar Surface Area: 37 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 180.4±3.0 cm3

Click to predict properties on the Chemicalize site


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